Denny Frost wrote:
Since gromacs allows you to use quite a few different force fields with
different naming schemes, how does it know (from reading the topology
file) which atoms are hydrogens to enforce the hbond constraints?
Atom types are present in [atoms], indicating what all of the constituent atoms
are based on force field nomenclature.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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